SCHEMBL3836552

SCHEMBL3836552

O=C(O)C=C1CCC(C(F)(F)F)CC1

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HK2 P52789 1/20 0.44
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
TSHR P16473 1/20 0.31
PLA2G7 Q13093 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6712596 0.80 GLA (0.37) RAB9ATSHR
SCHEMBL27692523 0.78 HK2 (0.43) HK2TSHR
SCHEMBL15628142 0.75 HK2 (0.39) HK2
SCHEMBL6274804 0.74 GLA (0.33) NPC1RAB9APLA2G7
SCHEMBL3841912 0.72 TSHR (0.34) TSHRPLA2G7
SCHEMBL7310223 0.72 TSHR (0.34) TSHRPLA2G7
SCHEMBL21734166 0.72 TSHR (0.34) TSHRPLA2G7
SCHEMBL1931711 0.72
SCHEMBL12983433 0.72 ITGB3 (0.40) NPC1RAB9ATSHRPLA2G7
SCHEMBL24906557 0.70 HK2 (0.33) HK2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2897942-B1 FLUOROALKYL AND FLUOROCYCLOALKYL 1,4-BENZODIAZEPINONE COMPOUNDS AS NOTCH INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2016-08-31 EP disclosed
US-9427442-B2 Fluoroalkyl and fluorocycloalkyl 1,4-benzodiazepinone compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2016-08-30 US disclosed
US-20150231152-A1 FLUOROALKYL AND FLUOROCYCLOALKYL 1,4-BENZODIAZEPINONE COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY 2015-08-20 US disclosed
EP-2897942-A1 FLUOROALKYL AND FLUOROCYCLOALKYL 1,4-BENZODIAZEPINONE COMPOUNDS AS NOTCH!INHIBITORS Bristol-Myers Squibb Company (US) 2015-07-29 EP disclosed
WO-2014047397-A1 FLUOROALKYL AND FLUOROCYCLOALKYL 1,4-BENZODIAZEPINONE COMPOUNDS AS NOTCH|INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2014-03-27 WO disclosed
CN-1832925-B New P2X7 receptor avtagonists and their use ASTRAZENECA AB 2010-05-05 CN disclosed
EP-1633717-B1 P2X7 RECEPTOR ANTAGONISTS AND THEIR USE ASTRAZENECA AB (SE) 2009-10-28 EP disclosed
US-20090143354-A1 P2X7 Receptor Antagonists and Their Use ASTRAZENECA AB (SE) 2009-06-04 US disclosed
US-7408065-B2 P2X7 receptor antagonists and their use ASTRAZENECA AB (SE) 2008-08-05 US disclosed
US-20060293337-A1 P2x7 receptor antagonists and their use ASTRAZENECA AB (SE) 2006-12-28 US disclosed
CN-1832925-A New p2x7 receptor avtagonists and their use ASTRAZENECA AB (SE) 2006-09-13 CN disclosed
EP-1633717-A1 NEW P2X7 RECEPTOR ANTAGONISTS AND THEIR USE AstraZeneca AB (SE) 2006-03-15 EP disclosed
WO-2004106305-A1 NEW P2X7 RECEPTOR ANTAGONISTS AND THEIR USE ASTRAZENECA AB (SE) 2004-12-09 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20150231152-A1 FLUOROALKYL AND FLUOROCYCLOALKYL 1,4-BENZODIAZEPINONE COMPOUNDS CNR1, CNR2, HRH3 HK2 1804/4885NPC1 2045/4885RAB9A 1030/4885
US-20060293337-A1 P2x7 receptor antagonists and their use P2RX7, P2RX1, P2RX2 HK2 1026/4885NPC1 797/4885RAB9A 2668/4885
US-20090143354-A1 P2X7 Receptor Antagonists and Their Use P2RX7, P2RX1, P2RX2 HK2 1026/4885NPC1 797/4885RAB9A 2668/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.